Geometry & MOs

Info

ID:	60892
PubChem CID:	26702910
Reduced:	OSN2H11C13 (2)
Stoich.:	ABC2D11E13 (2)
Weight, g/mol:	360.015783
ΔH_f, kcal/mol:	65.96
Dipole, Da:	2.24
IP(EA), eV:	-9.04(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-cyanophenyl)-4-(1,3-dithiolan-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CSC(S1)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations